![CAS 910231-21-9 [[(1,3,5-Triazine-2,4,6-triyl)tris(benzene-4,1-diyl)]triboronic acid] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/910231-21-9.gif)
CAS RN: 910231-21-9
[[(1,3,5-Triazine-2,4,6-triyl)tris(benzene-4,1-diyl)]triboronic acid]
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250506 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260219 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20251228 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260505 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250408 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS910231-21-9
- Purity/Analytical Methods: >99.0%
910231-21-9 / [4-[4,6-bis(4-boronophenyl)-1,3,5-triazin-2-yl]phenyl]boronic acid
Basic Information
CAS
910231-21-9
Multi CAS
No
Molecular Formula
B3C21H18N3O6
Molecular Weight
440.800000
Exact Mass
441.147476
InChI
InChI=1S/C21H18B3N3O6/c28-22(29)16-7-1-13(2-8-16)19-25-20(14-3-9-17(10-4-14)23(30)31)27-21(26-19)15-5-11-18(12-6-15)24(32)33/h1-12,28-33H
InChIKey
IFDYUPUXDOYIOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
6
Molar refractivity
125.61
TPSA
160.05
LogP / Solubility
WLOGP
-2.09
MLOGP
-1.81
XLogP3
-2.09
Consensus LogP
-2
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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